2-[[1-(hydroxymethyl)cyclopentyl]methyl-propylamino]ethanol

C12H25NO2 — CID 62266158

IUPAC2-[[1-(hydroxymethyl)cyclopentyl]methyl-propylamino]ethanol
SMILESCCCN(CCO)CC1(CO)CCCC1
InChIInChI=1S/C12H25NO2/c1-2-7-13(8-9-14)10-12(11-15)5-3-4-6-12/h14-15H,2-11H2,1H3
InChIKeyQESNXCAHIXSPST-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.24
Rot. Bonds7

About 2-[[1-(hydroxymethyl)cyclopentyl]methyl-propylamino]ethanol

2-[[1-(hydroxymethyl)cyclopentyl]methyl-propylamino]ethanol (PubChem CID 62266158) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-[[1-(hydroxymethyl)cyclopentyl]methyl-propylamino]ethanol.

Molecular Properties

Compound Name2-[[1-(hydroxymethyl)cyclopentyl]methyl-propylamino]ethanol
PubChem CID62266158
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-[[1-(hydroxymethyl)cyclopentyl]methyl-propylamino]ethanol
SMILESCCCN(CCO)CC1(CO)CCCC1
InChIInChI=1S/C12H25NO2/c1-2-7-13(8-9-14)10-12(11-15)5-3-4-6-12/h14-15H,2-11H2,1H3
InChIKeyQESNXCAHIXSPST-UHFFFAOYSA-N
XLogP1.24
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(hydroxymethyl)cyclopentyl]methyl-propylamino]ethanol?
The IUPAC name of 2-[[1-(hydroxymethyl)cyclopentyl]methyl-propylamino]ethanol (CID 62266158) is 2-[[1-(hydroxymethyl)cyclopentyl]methyl-propylamino]ethanol.
What is the SMILES notation for 2-[[1-(hydroxymethyl)cyclopentyl]methyl-propylamino]ethanol?
The canonical SMILES for 2-[[1-(hydroxymethyl)cyclopentyl]methyl-propylamino]ethanol is CCCN(CCO)CC1(CO)CCCC1.
What is the InChIKey of 2-[[1-(hydroxymethyl)cyclopentyl]methyl-propylamino]ethanol?
The InChIKey is QESNXCAHIXSPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-2-7-13(8-9-14)10-12(11-15)5-3-4-6-12/h14-15H,2-11H2,1H3.
What are the key properties of 2-[[1-(hydroxymethyl)cyclopentyl]methyl-propylamino]ethanol?
2-[[1-(hydroxymethyl)cyclopentyl]methyl-propylamino]ethanol has a molecular weight of 215.34 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(hydroxymethyl)cyclopentyl]methyl-propylamino]ethanol is sourced from PubChem (CID 62266158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).